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经验公式(希尔记法):
C16H20N6O · C6H8O7
化学文摘社编号:
分子量:
504.49
UNSPSC Code:
12352200
PubChem Substance ID:
NACRES:
NA.77
MDL number:
产品名称
Tofacitinib(托法替尼)柠檬酸盐, ≥98% (HPLC)
SMILES string
OC(=O)CC(O)(CC(O)=O)C(O)=O.C[C@@H]1CCN(C[C@@H]1N(C)c2ncnc3[nH]ccc23)C(=O)CC#N
InChI
1S/C16H20N6O.C6H8O7/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t11-,13+;/m1./s1
InChI key
SYIKUFDOYJFGBQ-YLAFAASESA-N
assay
≥98% (HPLC)
form
powder
color
white to beige
solubility
DMSO: 5 mg/mL (clear solution; warmed)
storage temp.
room temp
Quality Level
Gene Information
human ... JAK1(3716), JAK2(3717), JAK3(3718), TYK2(7297)
General description
托法替尼是一种合成分子,分子量为312.4 Da,可通过细胞间扩散渗透。
Application
使用枸橼酸托法替尼:
- 作为配体用于人血清白蛋白在荧光淬灭、动态光散射(DLS)测量、差示扫描量热法和分子对接中的研究
- 作为全深度关节软骨(FDC)外植体的培养基补充剂,以监测细胞因子诱导的蛋白多糖丢失
- 作为一种应用于MCF7乳腺癌细胞的Janus激酶抑制剂
Biochem/physiol Actions
Tofacitinib(托法替尼)是Janus 激酶3(JAK3)的有效抑制剂,具有一些 JAK-1抑制活性。 它阻断下游 STAT 信号传导,从而有效抑制炎性细胞因子,并产生免疫抑制和抗炎活性。 正在研究托法替尼用于治疗几种自身免疫性疾病,包括类风湿性关节炎、牛皮癣和干眼症。
托法替尼是Janus 激酶3(JAK3)的有效抑制剂。
Features and Benefits
该化合物是激酶磷酸酶生物学研究的推荐产品。点击此处查看更多特色的激酶磷酸酶生物学产品。在sigma.com/discover-bsm 上了解有关生物活性小分子在其他研究领域的更多信息。
Other Notes
Tofacitinib(托法替尼)已获得 Chemical Probes Portal(化学探针门户)的专业评审和推荐。有关更多信息,请见Chemical Probes Portal(化学探针门户)网站上的Tofacitinib(托法替尼)探针摘要。
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Repr. 2
存储类别
11 - Combustible Solids
wgk
WGK 1
flash_point_f
Not applicable
flash_point_c
Not applicable
The mechanism of action of tofacitinib-an oral Janus kinase inhibitor for the treatment of rheumatoid arthritis
Hodge JA, et al.
Clinical and Experimental Rheumatology, 34(2), 318-328 (2016)
Ben X Wang et al.
Journal of interferon & cytokine research : the official journal of the International Society for Interferon and Cytokine Research, 37(4), 147-152 (2017-04-08)
Aicardi-Goutières syndrome (AGS) is an early-onset, genetic disease characterized by recurrent fever, multifocal lesions of the brain, and systemic autoimmunity. We report on 3 AGS patients, 2 siblings with an RNASEH2A gene mutation and 1 patient with a SAMHD1 gene
Tofacitinib and TPCA-1 exert chondroprotective effects on extracellular matrix turnover in bovine articular cartilage ex vivo
Kjelgaard-Petersen CF, et al.
Biochemical Pharmacology (2018)
Phosphoproteome profiling reveals critical role of JAK-STAT signaling in maintaining chemoresistance in breast cancer
Nascimento AS, et al.
Testing, 8(70), 114756-114756 (2017)
Ji Sang Lee et al.
Pharmaceutics, 11(7) (2019-07-10)
This study investigated the pharmacokinetics of tofacitinib in rats and the effects of first-pass metabolism on tofacitinib pharmacokinetics. Intravenous administration of 5, 10, 20, and 50 mg/kg tofacitinib showed that the dose-normalized area under the plasma concentration-time curve from time
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